CID 18367556

[2-(4-bromophenyl)ethyl](methyl)amine

Structural Information

Molecular Formula
C9H12BrN
SMILES
CNCCC1=CC=C(C=C1)Br
InChI
InChI=1S/C9H12BrN/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
InChIKey
CJLDHHONSQXJTC-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

70
Patents

213.0153 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 138.6
[M+Na]+ 236.00452 149.2
[M-H]- 212.00802 144.8
[M+NH4]+ 231.04912 160.8
[M+K]+ 251.97846 137.9
[M+H-H2O]+ 196.01256 138.3
[M+HCOO]- 258.01350 161.5
[M+CH3COO]- 272.02915 187.5
[M+Na-2H]- 233.98997 147.2
[M]+ 213.01475 156.6
[M]- 213.01585 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe